(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone

C13H14F3NO2S — CID 43393959

IUPAC(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-11-3-1-9(2-4-11)12(19)17-7-5-10(18)6-8-17/h1-4,10,18H,5-8H2
InChIKeyCWDHFOWYYFVNMG-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.90
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 43393959) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID43393959
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc(SC(F)(F)F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-11-3-1-9(2-4-11)12(19)17-7-5-10(18)6-8-17/h1-4,10,18H,5-8H2
InChIKeyCWDHFOWYYFVNMG-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119485486
[(3aS,4S,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 97350653
[(3aS,4R,6aR)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 97350655
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethylsulfanyl)phenyl]piperidin-1-yl]methanone
CID 156537012
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 24660101
[2-(hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 43421260
(3S,4S)-4-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952240
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[4-[2-[2,6-bis(trifluoromethyl)phenyl]ethynyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 53338949

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone (CID 43393959) is (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1ccc(SC(F)(F)F)cc1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is CWDHFOWYYFVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)20-11-3-1-9(2-4-11)12(19)17-7-5-10(18)6-8-17/h1-4,10,18H,5-8H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 305.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 43393959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).